Collaboration diagram for ObjCryst::ScatteringComponent:
Public Member Functions | |
ScatteringComponent () | |
bool | operator== (const ScatteringComponent &rhs) const |
bool | operator!= (const ScatteringComponent &rhs) const |
void | Print () const |
Print one line oabout this component. | |
Public Attributes | |
REAL | mX |
Coordinates of scattering positions i the crystal with the corresponding occupancy. | |
REAL | mY |
Coordinates of scattering positions i the crystal with the corresponding occupancy. | |
REAL | mZ |
Coordinates of scattering positions i the crystal with the corresponding occupancy. | |
REAL | mOccupancy |
Coordinates of scattering positions i the crystal with the corresponding occupancy. | |
const ScatteringPower * | mpScattPow |
The ScatteringPower associated with this position. | |
REAL | mDynPopCorr |
Dynamical Population Correction. |
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Print one line oabout this component.
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Dynamical Population Correction. The population of any atom is given by mOccupancy*mDynPopCorr. mPopu is the real mOccupancy (0<.<1), and should be the only one used during a refinement. However during a model search for the structure, atoms may fall unexpectedly in a special position or with an overlap of two atoms (the shared oxygen between two polyhedras, for example). In these cases it is necessary to dynamically correct the population during the generation of structural models. See also Crystal::CalcDynPopCorr
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Coordinates of scattering positions i the crystal with the corresponding occupancy.
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The ScatteringPower associated with this position.
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Coordinates of scattering positions i the crystal with the corresponding occupancy.
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Coordinates of scattering positions i the crystal with the corresponding occupancy.
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Coordinates of scattering positions i the crystal with the corresponding occupancy.
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